getting order parameters from trajectory?
I was wondering if anyone knew any way to extract order parameters (S^2) from
the trajectory generated by an md simulation (e.g. discover)? I know of
fortran programs available to do this, but have not been able to implement them
correctly. Any information would be helpful. Thank you.
Sincerely,
Yugal Sharma
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Yugal K. Sharma Lab: (513) 556-9272
Graduate Assistant (513) 556-9277
Department of Chemistry
University of Cincinnati Home: (513) 481-6386
Email: yus { *at * } dragon.crs.uc.edu
yus { *at * } pegasus.crs.uc.edu
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